| CAS Number | 1021389-31-0 |
| Catalog Number | AG00922T(AGN-PC-04S50Z) |
| Chemical Name | 2-(2-Fluoro-5-Nitrophenyl)Ethanol |
| IUPAC Name | 2-(2-fluoro-5-nitrophenyl)ethanol |
| InChI | InChI=1S/C8H8FNO3/c9-8-2-1-7(10(12)13)5-6(8)3-4-11/h1-2,5,11H,3-4H2 |
| InChI Key | MCHWKGNTOWXQDV-UHFFFAOYSA-N |
| MDL Number | MFCD10699457 |
| Molecular Formula | C8H8FNO3 |
| Molecular Weight | 185.1524 |
| SMILES | OCCC1=C(F)C=CC([N+]([O-])=O)=C1 |
| Synonyms | 2-(2-FLUORO-5-NITROPHENYL)ETHANOL,
1021389-31-0,
2-(2-FLUORO-5-NITROPHENYL)ETHAN-1-OL,
SCHEMBL16197191,
MCHWKGNTOWXQDV-UHFFFAOYSA-N,
MFCD10699457,
ZINC95775284,
AKOS006303679,
AS06013,
CM13510,
MB08865,
AS-33198,
CS-0035936,
A1-12258,
|
| Complexity | 183 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 185.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 185.154g/mol |
| Monoisotopic Mass | 185.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number